[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate

C17H16F2N2O5 — CID 8738121

IUPAC[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O5/c1-9(20-16(23)14-4-3-7-25-14)17(24)26-10(2)15(22)21-13-6-5-11(18)8-12(13)19/h3-10H,1-2H3,(H,20,23)(H,21,22)/t9-,10+/m0/s1
InChIKeyHJGCCSSXNSEFKO-VHSXEESVSA-N
MW366.32 g/mol
LogP2.25
Rot. Bonds6

About [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 8738121) has the molecular formula C17H16F2N2O5 and a molecular weight of 366.32 g/mol. Its IUPAC name is [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID8738121
Molecular FormulaC17H16F2N2O5
Molecular Weight366.32 g/mol
Exact Mass366.10
IUPAC Name[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O5/c1-9(20-16(23)14-4-3-7-25-14)17(24)26-10(2)15(22)21-13-6-5-11(18)8-12(13)19/h3-10H,1-2H3,(H,20,23)(H,21,22)/t9-,10+/m0/s1
InChIKeyHJGCCSSXNSEFKO-VHSXEESVSA-N
XLogP2.25
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738110
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738131
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8981031
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575818
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2459579
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 55422783
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484876
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737879
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738158
N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 124617658

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate (CID 8738121) is [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate is C[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is HJGCCSSXNSEFKO-VHSXEESVSA-N. The full InChI is InChI=1S/C17H16F2N2O5/c1-9(20-16(23)14-4-3-7-25-14)17(24)26-10(2)15(22)21-13-6-5-11(18)8-12(13)19/h3-10H,1-2H3,(H,20,23)(H,21,22)/t9-,10+/m0/s1.
What are the key properties of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 366.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 8738121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).